Chemical Properties of 1,5-DIPHENYLBICYCLO[3.2.0]HEPTANE

1,5-DIPHENYLBICYCLO[3.2.0]HEPTANE

InChI
InChI=1S/C19H20/c1-3-8-16(9-4-1)18-12-7-13-19(18,15-14-18)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
InChI Key
ITJCELKBMFHZCC-UHFFFAOYSA-N
Formula
C19H20
SMILES
c1ccc(C23CCCC2(c2ccccc2)CC3)cc1
Molecular Weight1
248.37
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Physical Properties

Property Value Unit Source
ΔfH°gas 215.00 kJ/mol NIST
ΔfusH° 14.62 kJ/mol Joback Calculated Property
IE 8.15 eV Relay (1.0) Calculated Property
logPoct/wat 4.840 Crippen Calculated Property
McVol 209.330 ml/mol McGowan Calculated Property
Tboil 619.03 K Relay (1.0) Calculated Property
Tfus 447.36 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [234.40; 738.42] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.87780e+02
Coefficient B2.52700e+00
Coefficient C-2.53140e-03
Coefficient D1.03060e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 234.40 J/mol×K 273.00 Calculated Property
Cp,gas 335.02 J/mol×K 353.78 Calculated Property
Cp,gas 416.89 J/mol×K 434.56 Calculated Property
Cp,gas 483.25 J/mol×K 515.33 Calculated Property
Cp,gas 537.37 J/mol×K 596.11 Calculated Property
Cp,gas 582.51 J/mol×K 676.89 Calculated Property
Cp,gas 621.93 J/mol×K 757.67 Calculated Property
Cp,gas 658.88 J/mol×K 838.44 Calculated Property
Cp,gas 696.62 J/mol×K 919.22 Calculated Property
Cp,gas 738.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,1'-Diphenyl-1,1'-bicyclopentyl. 1,1'-Diphenyl-1,1'-bicyclooctyl. 1,1'-Diphenyl-1,1'-bicyclohexyl. 5,6-Dibutyl-5,6-bis(4-tert-butylphenyl)decane. 4,5-Dipropyl-4,5-bis-(4-tert-butylphenyl)octane. 4,5-Diethyl-4,5-bis-(4-tert-butylphenyl)-octane. 2,4,5,7-Tetramethyl-4,5-bis(4-tert-butylphenyl)octane. Dibenzoequinene. 3,4-Diethyl-3,4-bis(4-tert-butylphenyl)-hexane. Propane, 2-cyclohexyl-2-phenyl-. Cuparenal. «alpha»-Cuparene. Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-. 5,6,6a,7,8,12b,12c-Octahydrodibenzo[a,i]biphenylene. Cuparenal.

Find more compounds similar to 1,5-DIPHENYLBICYCLO[3.2.0]HEPTANE.

Sources

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